Focused On-demand Library for E3 ubiquitin-protein ligase RNF220

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

We employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q5VTB9

UPID:

RN220_HUMAN

Alternative names:

RING finger protein 220; RING-type E3 ubiquitin transferase RNF220

Alternative UPACC:

Q5VTB9; B3KPJ3; B4DLZ9; E9PCS1; Q4KMX2; Q9NVP6

Background:

E3 ubiquitin-protein ligase RNF220, also known as RING finger protein 220, plays a pivotal role in cellular processes through its E3 ligase activity and stabilization of CTNNB1, enhancing Wnt signaling. It is instrumental in the regulation of nuclear lamina, highlighting its multifaceted role in cellular integrity and signaling pathways.

Therapeutic significance:

The protein's involvement in Leukodystrophy, hypomyelinating, 23, with ataxia, deafness, liver dysfunction, and dilated cardiomyopathy underscores its potential as a therapeutic target. Understanding the role of E3 ubiquitin-protein ligase RNF220 could open doors to potential therapeutic strategies for this neurodegenerative disorder.